6-chloranyl-3-(2-morpholin-4-ylethyl)-1-(phenylmethyl)-2H-quinazolin-4-one; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 6-chloranyl-3-(2-morpholin-4-ylethyl)-1-(phenylmethyl)-2H-quinazolin-4-one; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-benzyl-6-chloro-3-(2-morpholinoethyl)-2H-quinazolin-4-one citrate CAS Name: 6-chloro-3-[2-(4-morpholinyl)ethyl]-1-(phenylmethyl)-2H-quinazolin-4-one; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-benzyl-6-chloro-3-(2-morpholin-4-ylethyl)-2H-quinazolin-4-one; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-benzyl-6-chloro-3-(2-morpholinoethyl)-2H-quinazolin-4-one citrate Formula: C27H29ClN3O9-3 MolecularWeight: 574.98686

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2CN(C3=C(C2=O)C=C(C=C3)Cl)CC4=CC=CC=C4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1COCCN1CCN2CN(C3=C(C2=O)C=C(C=C3)Cl)CC4=CC=CC=C4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C21H24ClN3O2.C6H8O7/c22-18-6-7-20-19(14-18)21(26)24(9-8-23-10-12-27-13-11-23)16-25(20)15-17-4-2-1-3-5-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-7,14H,8-13,15-16H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3